| Literature DB >> 12546533 |
Vladimir V Diky1, Robert D Chirico, Randolph C Wilhoit, Qian Dong, Michael Frenkel.
Abstract
Guided data capture software (GDC) is described for mass-scale abstraction from the literature of experimental thermophysical and thermochemical property data for organic chemical systems involving one, two, and three components, chemical reactions, and chemical equilibria. Property values are captured with a strictly hierarchical system based upon rigorous application of the thermodynamic constraints of the Gibbs phase rule with full traceability to source documents. Key features of the program and its adherence to scientific principles are described with particular emphasis on data-quality issues, both in terms of data accuracy and database integrity.Year: 2003 PMID: 12546533 DOI: 10.1021/ci025534t
Source DB: PubMed Journal: J Chem Inf Comput Sci ISSN: 0095-2338